U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula 2C19H22N2O.H2O4S
Molecular Weight 686.86
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CINCHONINE SULFATE

SMILES

OS(O)(=O)=O.[H][C@@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@@H](O)C3=C4C=CC=CC4=NC=C3.[H][C@@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@@H](O)C7=C8C=CC=CC8=NC=C7

InChI

InChIKey=WBBHOISPYYYBTC-SJFRDBBCSA-N
InChI=1S/2C19H22N2O.H2O4S/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)/t2*13-,14-,18+,19-;/m00./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CINCHONINE SULFATE
WHO-DD  
Common Name English
CINCHONAN-9-OL, (9S)-, SULPHATE (2:1) (SALT)
Common Name English
ANHYDROUS CINCHONINE SULFATE
Common Name English
2-QUINUCLIDINEMETHANOL, .ALPHA.-(5-VINYL-2-QUINOLYL)-, SULFATE (2:1) (SALT)
Common Name English
(+)-CINCONINE SULFATE
Common Name English
(+)-CINCONINE SULPHATE
Common Name English
D-CINCHONINE, SULPHATE (2:1) (SALT)
Common Name English
(8R,9S)-CINCHONINE, SULPHATE (2:1) (SALT)
Common Name English
(8R,9S)-CINCHONINE, SULFATE (2:1) (SALT)
Common Name English
TCMDC-123933
Code English
CINCHONINE SULFATE, ANHYDROUS
Common Name English
2-QUINUCLIDINEMETHANOL, .ALPHA.-(5-VINYL-2-QUINOLYL)-, SULPHATE (2:1) (SALT)
Common Name English
D-CINCHONINE, SULFATE (2:1) (SALT)
Common Name English
CINCHONAN-9-OL, (9S)-, SULFATE (2:1) (SALT)
Common Name English
GNF-PF-3189
Code English
Cinchonine sulfate [WHO-DD]
Common Name English
CINCHONINE, SULFATE (2:1) (SALT)
Common Name English
CINCHONINE, SULPHATE (2:1) (SALT)
Common Name English
CINCHONINE SULFATE ANHYDROUS
Common Name English
CINCHONINE SULPHATE
Common Name English
CINCHONINUM SULPHURICUM [HPUS]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C271
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
Code System Code Type Description
PUBCHEM
11948449
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
SMS_ID
100000080091
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
ECHA (EC/EINECS)
227-708-4
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
FDA UNII
342JR840KF
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL588619
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID80974891
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
CAS
5949-16-6
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
NCI_THESAURUS
C75266
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY
EVMPD
SUB13376MIG
Created by admin on Fri Dec 15 15:01:16 UTC 2023 , Edited by admin on Fri Dec 15 15:01:16 UTC 2023
PRIMARY